SCHEMBL30637363

SCHEMBL30637363

Cc1ccnc(N2CCCC(F)(F)C2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SORD Q00796 1/20 0.45
▸ ACACB O00763 1/20 0.43
▸ EIF2AK4 Q9P2K8 1/20 0.42
▸ HSD17B10 Q99714 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ OGA O60502 1/20 0.39
▸ SLC6A7 Q99884 1/20 0.39
▸ MAP3K12 Q12852 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ GBA1 P04062 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30637430 0.91 SORD (0.47) SORDACACBHSD17B10KDM4EALDH1A1
SCHEMBL30556652 0.84 CYP2D6 (0.52) SORDHSD17B10KDM4EALDH1A1TSHR
SCHEMBL26646178 0.81 SORD (0.52) SORDHSD17B10KDM4EALDH1A1HPGD
SCHEMBL26201769 0.79 CYP2D6 (0.51) EIF2AK4HSD17B10ALDH1A1TSHRHPGD
SCHEMBL26047171 0.79 SORD (0.40) SORDHSD17B10KDM4EALDH1A1TSHR
SCHEMBL20745960 0.79 ACACB (0.41) SORDACACBEIF2AK4HSD17B10ALDH1A1
SCHEMBL13806030 0.79 SORD (0.55) SORDHSD17B10KDM4EALDH1A1TSHR
SCHEMBL7904079 0.79 SORD (0.55) SORDHSD17B10KDM4EALDH1A1TSHR
SCHEMBL18228454 0.79 SORD (0.55) SORDHSD17B10KDM4EALDH1A1TSHR
SCHEMBL12597157 0.77 KDM4E (0.55) SORDHSD17B10KDM4EALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023198209-A1 KIF18A INHIBITOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2023-10-19 — — WO disclosed
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